1-morpholin-4-yl-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one

C14H17N5O2S — CID 851331

IUPAC1-morpholin-4-yl-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
SMILESO=C(CCSc1nnnn1-c1ccccc1)N1CCOCC1
InChIInChI=1S/C14H17N5O2S/c20-13(18-7-9-21-10-8-18)6-11-22-14-15-16-17-19(14)12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKeyFNRUIXNNGVCMJW-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.00
Rot. Bonds5

About 1-morpholin-4-yl-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one

1-morpholin-4-yl-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one (PubChem CID 851331) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
PubChem CID851331
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name1-morpholin-4-yl-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
SMILESO=C(CCSc1nnnn1-c1ccccc1)N1CCOCC1
InChIInChI=1S/C14H17N5O2S/c20-13(18-7-9-21-10-8-18)6-11-22-14-15-16-17-19(14)12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKeyFNRUIXNNGVCMJW-UHFFFAOYSA-N
XLogP1.00
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]pyrrolidin-2-one
CID 2555772
2-[(1-ethyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-1-(4-phenylpiperazino)-1-ethanone
CID 2810020
2-(1-Isopropyl-1H-tetrazol-5-ylsulfanyl)-N-(2-morpholin-4-yl-phenyl)-acetamide
CID 645894
2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-N-(2-morpholin-4-yl-phenyl)-acetamide
CID 647118
1-{3-(morpholin-4-yl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propyl}pyrrolidin-2-one
CID 659756
4-(1-phenyl-1H-tetrazol-5-yl)morpholine
CID 1281750
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 1383754
N-cyclohexyl-N-methyl-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamide
CID 2999647
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 16320958
1-(2,6-Dimethylmorpholin-4-yl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 4880950
1-[2-[1-(3-Fluorophenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one
CID 7801979
ethyl 2-(N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]anilino)acetate
CID 8934279

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one (CID 851331) is 1-morpholin-4-yl-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one is O=C(CCSc1nnnn1-c1ccccc1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one?
The InChIKey is FNRUIXNNGVCMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c20-13(18-7-9-21-10-8-18)6-11-22-14-15-16-17-19(14)12-4-2-1-3-5-12/h1-5H,6-11H2.
What are the key properties of 1-morpholin-4-yl-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one?
1-morpholin-4-yl-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one has a molecular weight of 319.39 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one is sourced from PubChem (CID 851331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).